Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248210
Preview
| Coordinates | 7248210.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H34 N4 O4 S2 |
|---|---|
| Calculated formula | C60 H34 N4 O4 S2 |
| SMILES | S1c2c(N(c3ccc4c5c(C(=O)N(C4=O)c4ccccc4)cccc35)c3ccccc13)cccc2.S1c2c(N(c3c4c5c(C(=O)N(c6ccccc6)C(=O)c5ccc4)cc3)c3c1cccc3)cccc2 |
| Title of publication | Efficient orange and red thermally activated delayed fluorescence materials based on 1,8-naphthalimide derivatives |
| Authors of publication | Chen, Meiling; Chen, Yuzhuo; Li, Yan; Lin, Yuhong; Wu, Yunan |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 6494 - 6500 |
| a | 9.3848 ± 0.0003 Å |
| b | 13.2196 ± 0.0005 Å |
| c | 19.2723 ± 0.0006 Å |
| α | 79.837 ± 0.003° |
| β | 79.503 ± 0.002° |
| γ | 84.025 ± 0.002° |
| Cell volume | 2307.68 ± 0.14 Å3 |
| Cell temperature | 119.99 ± 0.1 K |
| Ambient diffraction temperature | 119.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289927 (current) | 2024-02-22 | cif/ Adding structures of 7248210, 7248211 via cif-deposit CGI script. |
7248210.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.